Crystallography Open Database

Information card for entry 7714958

Preview

Coordinates	7714958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 B18 Fe O4
Calculated formula	C12 H36 B18 Fe O4
Title of publication	Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.
Authors of publication	Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3363 - 3376
a	10.3079 ± 0.0006 Å
b	7.8554 ± 0.0005 Å
c	14.939 ± 0.0009 Å
α	90°
β	98.053 ± 0.002°
γ	90°
Cell volume	1197.72 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290195 (current)	2024-03-04	cif/ Updating files of 7714955, 7714956, 7714957, 7714958, 7714959, 7714960 Original log message: Adding full bibliography for 7714955--7714960.cif.	7714958.cif
288990	2024-01-10	cif/ Adding structures of 7714955, 7714956, 7714957, 7714958, 7714959, 7714960 via cif-deposit CGI script.	7714958.cif